Ligand name: 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE
PDB ligand accession: 177
DrugBank: DB06869
PubChem: 448677
ChEMBL: CHEMBL42039
InChI Key: BMHVHOJXEQTIEA-SIKLNZKXSA-N
SMILES: [H][C@@](N)(C1CCCCC1)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=C(OCC(=O)NCC)C=CC(Cl)=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P00734

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	599	Acetylation			PyMOL_Chai1
THR	540	Phosphorylation			PyMOL_Chai1